Name: lewis structures with formal charge
Uploaded: 2020-09-03T13:38:28.000Z
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Formal Charges

Некоторые молекулы или многоатомные ионы могут быть представлены несколькими структурами Льюиса, но как решить, какая из них является доминирующей? Вычисляя формальные заряды атомов, можно определить структуру Льюиса, наиболее близкую к реальной структуре молекулы. Каждому атому назначается гипотетический заряд, называемый формальным зарядом, который был бы зарядом атома, если бы все другие атомы в молекуле имели такую же электроотрицательность.Предполагается, что каждый связывающий электрон в равной степени используется двумя атомами. Рассмотрим хлористый водород. Чтобы определить формальный заряд каждого атома, сначала добавьте количество несвязывающих электронов к половине количества связывающих электронов, а затем вычтите полученное значение из количества валентных электронов.Совокупность всех формальных зарядов в молекуле или ионе равна чистому заряду молекулы или иона. Например, закись азота может быть представлена тремя возможными структурами Льюиса одна с двумя двойными связями, одна с тройной связью между атомами азота и одна с тройной связью между азотом и кислородом всё, что удовлетворяет октету. Наилучшая структура Льюиса определяется путем формального расчета заряда.Азот имеет пять валентных электронов, а кислород шесть валентных электронов. Расчет на основе количества несвязывающих электронов и половины количества связывающих электронов дает формальный заряд для каждой структуры. Поскольку закись азота является нейтральной молекулой, сумма всех формальных зарядов должна быть равна нулю.Как правило, формальные заряды на отдельных атомах в доминирующей структуре Льюиса наиболее близки к нулю. Следовательно, можно игнорировать третью структуру с более высоким формальным зарядом. Кроме того, отрицательный формальный заряд, если он присутствует, должен нести наиболее электроотрицательный атом.Поскольку кислород более электроотрицателен, чем азот, вторая структура с отрицательным формальным зарядом кислорода определяется как доминирующая структура для закиси азота. Формальные заряды это не фактические заряды молекул или атомов, а условное обозначение. Фактический заряд молекулы зависит от нескольких факторов, включая разницу в электроотрицательности между составляющими атомами.

Формальный заряд

В некоторых случаях, кажется, существует несколько действительных структур Льюиса для молекул и полиатомных ионов. Концепция формальных зарядов может быть использована для прогнозирования наиболее подходящей структуры Льюиса при наличии более чем одной разумной структуры. 
 
 <h4>Расчет формального заряда </h4>
 
 Формальным зарядом атома в молекуле является гипотетический заряд, который будет иметь атом, если электроны в связях равномерно распределены между атомами. В качестве альтернативы, формальный заряд возникает, когда из числа валентных электронов нейтрального атома сначала уменьшаются несвязные электроны, за которыми следует вычитание числа связей, связанных с этим атомом в структуре Льюиса. 
 
 Таким образом, формальный заряд рассчитывается следующим образом:  
 
 <img alt=""Eq1"" src=""https://www.jove.com/files/core/CDNSource/lessons/1065/1065_Equations-01.png"" style=""height: 60px;"" />
 
 Формальные расчеты зарядов можно дважды проверить, определив сумму формальных зарядов для всей структуры. Сумма формальных зарядов всех атомов в молекуле должна быть равна нулю; сумма формальных зарядов в ионе должна равняться заряду иона. Помните, что формальный заряд, рассчитанный для атома, не является фактическим зарядом атома в молекуле. Формальный заряд является лишь полезной процедурой учета; он не указывает на наличие фактических зарядов. 
 
 <h4>Расчет формального заряда из структур Льюиса </h4>
 
 Для того чтобы назначить каждому атому формальные заряды в межгалогенном ионе ICl4, необходимо выполнить следующие действия. 
 
 Шаг 1. Разделите пары электронной связи поровну для всех связей I–Cl: 
 
 <img alt=""Figure1"" src=""https://www.jove.com/files/core/CDNSource/lessons/1065/1065image_1.svg"" style=""height: 120px;"" />
 
 Шаг 2. Назначить неподелённые парам электронов атомам. Каждый атом хлора теперь имеет семь электронов, и атом йода имеет восемь. 
 
 Шаг 3. Вычтите это число из числа валентных электронов для нейтрального атома: 
 Йод: 7 – 8 = –1 
 Хлор: 7 – 7 = 0 
 Сумма формальных зарядов всех атомов равна –1, что идентично заряду иона (–1). 
 
 <h4>Использование формального заряда для прогнозирования молекулярной структуры </h4>
 
 Расположение атомов в молекуле или ионе называется его молекулярной структурой. Во многих случаях, следуя шагам написания структур Льюиса, может привести к более чем одной возможной молекулярной структуре — множеству различных связей и размещению электрона в неподелённной паре или с различным структурам атомов. Несколько рекомендаций, включающих формальный заряд, могут быть полезны при определении возможных структур, наиболее вероятных для определенной молекулы или иона: 
 
 <ol>
 <li>Молекулярная структура, в которой все формальные заряды равны нулю, предпочтительнее той, в которой некоторые формальные заряды не равны нулю. </li>
 <li>Если структура Льюиса должна иметь ненулевые формальные заряды, предпочтительно расположение с наименьшими ненулевыми формальными зарядами. </li>
 <li>Структуры Льюиса предпочтительны, если соседние формальные заряды равны нулю или противоположные знаки. </li>
 <li>При выборе из нескольких структур Льюиса с подобным распределением формальных зарядов предпочтительна структура с отрицательными формальными зарядами на более электроотрицательных атомах. </li>
 </ol>
 
 Чтобы узнать, как применяются эти рекомендации, рассмотрите некоторые возможные структуры для углекислого газа, CO2. Известно, что менее электронегативный атом обычно занимает центральное положение, но формальные заряды помогают понять, почему это происходит. Можно нарисовать три варианта структуры: Углерод в центре с двумя двойными связями, углерод в центре с одной и тройной связью, а кислород в центре с двойными связями.  
 
 <img alt=""Figure2"" src=""https://www.jove.com/files/core/CDNSource/lessons/1065/1065image_2.svg"" style=""height: 80px;"" />
 
 При сравнении трех формальных зарядов, структура слева может быть определена как предпочтительная, потому что она имеет только формальные заряды, которые равны нулю. 
 
 В качестве другого примера можно привести ион тиоцианата, ион, образованный из атома углерода, атома азота и атома серы, может иметь три различных молекулярных структуры: NCS–, CNS– или CSN–. Формальные заряды, присутствующие в каждой из этих молекулярных структур, могут помочь выбрать наиболее вероятное расположение атомов. Возможные структуры Льюиса и формальные сборы за каждую из трех возможных структур для тиоцианата являются — углерод в центре с двойными связями, азот в центре с двойными связями, и сера в центре с двойными связями.  
 
 <img alt="Figure3" src="https://www.jove.com/files/core/CDNSource/lessons/1065/1065Image_3.svg" style="height: 95px;" />
 
 Обратите внимание, что сумма формальных зарядов в каждом случае равна сумме заряда иона (–1). Тем не менее, первое расположение атомов с углеродом в центре предпочтительнее, потому что у них самое низкое количество атомов с ненулевыми формальными зарядами. Кроме того, при этом помещается в центр наименее электроотрицательный атом и отрицательный заряд идёт на более электроотрицательный элемент. 
 
 Этот текст адаптирован из <a href="https://openstax.org/books/chemistry-2e/pages/7-4-formal-charges-and-resonance">Openstax, Химия 2е изд., Раздел 7.4 Формальные заряды и резонанс.</a>

В некоторых случаях, по-видимому, существует более одной валидной структуры Льюиса для молекул и многоатомных ионов. Концепция формальных сборов может быть использована для...

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lewis structures with formal charge

Lewis structures can sometimes show more than one reasonable arrangement for a molecule or polyatomic ion. Formal charge helps chemists choose the best Lewis structure when that happens. It is a useful way to compare possible structures in chemistry.

Formal charge is the hypothetical charge an atom would have if bonding electrons were shared evenly between the atoms. It can also be found by starting with the valence electrons of the neutral atom, subtracting the nonbonding electrons, and then subtracting the number of bonds on that atom in the Lewis structure. This is a bookkeeping tool, not the actual charge on the atom.

The formal charge of a full structure should also be checked as a whole. For a neutral molecule, the sum of all formal charges must be zero. For an ion, the sum of all formal charges should match the ion’s overall charge.

A common example is the interhalogen ion ICl4−. To assign formal charges, the bonding electron pairs are divided equally among the I–Cl bonds. Then lone pairs are assigned to their atoms. In this structure, each chlorine has seven electrons assigned to it, and iodine has eight. That gives iodine a formal charge of −1 and each chlorine a formal charge of 0, which adds up to the −1 charge of the ion.

Formal charge also helps predict molecular structure when several Lewis structures are possible. A structure with all formal charges equal to zero is preferred over one with nonzero charges. If nonzero charges are needed, the best choice has the smallest charges possible. Structures are also preferred when adjacent formal charges are zero or opposite in sign. When several choices are still possible, the negative charge should be on the more electronegative atom.

Carbon dioxide shows why these rules matter. One possible structure has carbon in the center with two double bonds. Other possibilities place carbon between a single and a triple bond, or place oxygen in the center with double bonds. The structure with carbon in the center and two double bonds is preferred because all of its formal charges are zero.

The thiocyanate ion, NCS−, gives another clear example. It can be written with carbon, nitrogen, or sulfur in the center. The formal charges in each possible Lewis structure help identify the most likely arrangement of atoms. The carbon-centered structure is preferred because it has the fewest atoms with nonzero formal charges. It also places the least electronegative atom in the center and the negative charge on the more electronegative element.

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Lewis structures can sometimes show more than one reasonable arrangement for a molecule or polyatomic ion. Formal charge helps chemists choose the best Lewis structure when that happens. It is a useful way to compare possible structures in chemistry. Formal charge is the hypothetical charge an atom would have if bonding electrons were shared evenly between the atoms. It can also be found by starting with the valence electrons of the neutral atom, subtracting the nonbonding electrons, and then...

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Learn how formal charge helps compare Lewis structures, check total charge, and choose the best arrangement for molecules and ions like CO2 and NCS−.

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Chemical bonds are complex interactions between two or more atoms or ions, which reduce the potential energy of the molecule. Gilbert N. Lewis developed a ...

Ionic Bonding and Electron Transfer

Ions are atoms or molecules bearing an electrical charge. A cation (a positive ion) forms when a neutral atom loses one or more electrons from its valence ...

The Born-Haber Cycle

Lattice Energy&#xA0;

An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a ...

Trends in Lattice Energy: Ion Size and Charge

An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a compound is a measure ...

Covalent Bonding and Lewis Structures

Compared to ionic bonds, which results from the transfer of electrons between metallic and nonmetallic atoms, covalent bonds result from the mutual ...

Electronegativity

Whether a bond is nonpolar or polar covalent is determined by a property of the bonding atoms called electronegativity.&#xA0;

Electronegativity values of ...

Bond Polarity, Dipole Moment, and Percent Ionic Character

Bond Polarity

The absolute value of the difference in electronegativity (&Delta;EN) of two bonded atoms provides a rough measure of the polarity to be ...

Lewis Structures of Molecular Compounds and Polyatomic Ions

To draw Lewis structures for complicated molecules and molecular ions, it is helpful to follow a step-by-step procedure as outlined:


	Determine the ...

Resonance

The Lewis structure of a nitrite anion (NO2&minus;) may actually be drawn in two different ways, distinguished by the locations of the N-O and N=O ...

In some cases, there are seemingly more than one valid Lewis structures for molecules and polyatomic ions. The concept of formal charges can be used to ...

Exceptions to the Octet Rule

Many covalent molecules have central atoms that do not have eight electrons in their Lewis structures. These molecules fall into three categories:


	...

Bond Energies and Bond Lengths

Stable molecules exist because covalent bonds hold the atoms together. The strength of a covalent bond is measured by the energy required to break it, ...

Analyze and interpret data to explain the mechanisms and properties of the two main types of intramolecular (ionic and covalent) bonds.

molecular-comparison-of-gases-liquids-and-solids

Molecular Comparison of Gases, Liquids, and Solids

Particles in a solid are tightly packed together (fixed shape) and often arranged in a regular pattern; in a liquid, they are close together with no ...

Intermolecular vs Intramolecular Forces

Intermolecular forces (IMF) are electrostatic attractions arising from charge-charge interactions between molecules. The strength of the intermolecular ...

Intermolecular Forces

Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions ...

comparing-intermolecular-forces-melting-point-boiling-point

Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility

Intermolecular forces are attractive forces that exist between molecules. They dictate several bulk properties, such as melting points, boiling points, ...

Construct an explanation to summarize the influences intermolecular forces have on the properties of chemical compounds.

PS.Chm.3.2

Analyze the structure of atoms and isotopes.

Lewis Structures with Formal Charge

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